(5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate

C19H21NO3 — CID 160928096

IUPAC(5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate
SMILESCC(CCC(=O)Cc1ccccc1)OC(=O)Nc1ccccc1
InChIInChI=1S/C19H21NO3/c1-15(23-19(22)20-17-10-6-3-7-11-17)12-13-18(21)14-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,20,22)
InChIKeyYBQGUZVQBFKQGL-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.22
Rot. Bonds7

About (5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate

(5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate (PubChem CID 160928096) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate.

Molecular Properties

Compound Name(5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate
PubChem CID160928096
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate
SMILESCC(CCC(=O)Cc1ccccc1)OC(=O)Nc1ccccc1
InChIInChI=1S/C19H21NO3/c1-15(23-19(22)20-17-10-6-3-7-11-17)12-13-18(21)14-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,20,22)
InChIKeyYBQGUZVQBFKQGL-UHFFFAOYSA-N
XLogP4.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate?
The IUPAC name of (5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate (CID 160928096) is (5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate.
What is the SMILES notation for (5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate?
The canonical SMILES for (5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate is CC(CCC(=O)Cc1ccccc1)OC(=O)Nc1ccccc1.
What is the InChIKey of (5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate?
The InChIKey is YBQGUZVQBFKQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-15(23-19(22)20-17-10-6-3-7-11-17)12-13-18(21)14-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,20,22).
What are the key properties of (5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate?
(5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate has a molecular weight of 311.38 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate is sourced from PubChem (CID 160928096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).